6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

C26H30N6O2S — CID 44590018

IUPAC6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESNC(=O)CN1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34)
InChIKeyFHRUVVOXWGOVFG-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.42
Rot. Bonds6

About 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 44590018) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
PubChem CID44590018
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESNC(=O)CN1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34)
InChIKeyFHRUVVOXWGOVFG-UHFFFAOYSA-N
XLogP3.42
TPSA117.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Dipyridodiazepinone deriv. 44
CID 463564
Dipyridodiazepinone deriv. 45
CID 463565
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
Nevirapin 4-substituted deriv. 4h
CID 464528
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11247914
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11441583
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150975
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744322
6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744323
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744325

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (CID 44590018) is 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is NC(=O)CN1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.
What is the InChIKey of 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is FHRUVVOXWGOVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34).
What are the key properties of 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 44590018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).